N-methyl-4-nitrotryptophan (CHEBI:201649)

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CHEBI:201649 - N-methyl-4-nitrotryptophan

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ChEBI ID	CHEBI:201649
ChEBI Name	N-methyl-4-nitrotryptophan
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H13N3O4
Net Charge	0
Average Mass	263.253
Monoisotopic Mass	263.09061
SMILES	CN[C@@H](Cc1cnc2cccc([N+](=O)[O-])c12)C(=O)O
InChI	InChI=1S/C12H13N3O4/c1-13-9(12(16)17)5-7-6-14-8-3-2-4-10(11(7)8)15(18)19/h2-4,6,9,13-14H,5H2,1H3,(H,16,17)/t9-/m0/s1
InChIKey	QXDTZLBLXHZFKC-VIFPVBQESA-N

Species of Metabolite	Component	Source	Comments
Streptomyces scabiei (ncbitaxon:1930)	-	DOI (10.1016/0031-9422(95)00256-7)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	N-methyl-4-nitrotryptophan (CHEBI:201649) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name
(2S)-2-(methylamino)-3-(4-nitro-1H-indol-3-yl)propanoic acid